Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameMelanocortin receptor 5
SpeciesMus musculus (Mouse)
GeneMc5r
SynonymMC5 receptor
MC5-R
MC5R
melanocortin receptor 5
DiseaseN/A for non-human GPCRs
Length325
Amino acid sequenceMNSSSTLTVLNLTLNASEDGILGSNVKNKSLACEEMGIAVEVFLTLGLVSLLENILVIGAIVKNKNLHSPMYFFVGSLAVADMLVSMSNAWETVTIYLLNNKHLVIADTFVRHIDNVFDSMICISVVASMCSLLAIAVDRYITIFYALRYHHIMTARRSGVIIACIWTFCISCGIVFIIYYESKYVIICLISMFFTMLFFMVSLYIHMFLLARNHVKRIAASPRYNSVRQRTSMKGAITLTMLLGIFIVCWSPFFLHLILMISCPQNVYCSCFMSYFNMYLILIMCNSVIDPLIYALRSQEMRRTFKEIVCCHGFRRPCRLLGGY
UniProtP41149
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4489
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL195468
Molecular formulaC44H65N11O4
IUPAC name(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-(dodecylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight812.077
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP5.8
Synonyms(S)-2-{(R)-2-[(S)-2-Dodecylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
BDBM50166128
Inchi KeyFLNONEPLTTUUMZ-BTSKBWHGSA-N
Inchi IDInChI=1S/C44H65N11O4/c1-2-3-4-5-6-7-8-9-10-16-23-49-38(27-33-29-48-30-52-33)42(58)55-39(25-31-18-12-11-13-19-31)43(59)53-36(22-17-24-50-44(46)47)41(57)54-37(40(45)56)26-32-28-51-35-21-15-14-20-34(32)35/h11-15,18-21,28-30,36-39,49,51H,2-10,16-17,22-27H2,1H3,(H2,45,56)(H,48,52)(H,53,59)(H,54,57)(H,55,58)(H4,46,47,50)/t36-,37-,38-,39+/m0/s1
PubChem CID44400403
ChEMBLCHEMBL195468
IUPHARN/A
BindingDB50166128
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC506.3 nMPMID15857138BindingDB,ChEMBL

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218